NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2693 0.0000 0.0000 61.9987 32.3026 175.3333 3 K 3.6595 8.8803 123.4557 55.6273 31.3719 174.0360 4 K 4.1779 8.2439 125.0798 54.7078 34.8119 174.4928 5 V 5.0714 8.2780 124.5961 61.3289 34.9345 174.2113 6 L 4.8602 8.7630 123.6427 53.4326 46.6217 175.2642 7 T 5.0678 8.1174 116.7999 62.0630 71.4769 173.5611 8 G 4.5636 8.8172 112.0391 46.6115 0.0000 172.0539 9 V 4.5704 8.0056 119.4866 61.8296 33.6456 175.2907 10 V 4.2443 8.6014 127.1946 62.8471 31.7894 176.2407 11 V 4.2389 8.4787 121.2971 60.9625 32.7441 176.2230 12 S 4.5140 7.5008 114.7130 57.3135 65.5327 174.6160 13 D 4.9357 8.8186 125.8133 53.2187 39.6547 175.6379 14 K 4.5302 7.9810 116.9786 57.6025 32.5447 176.1808 15 M 4.7587 7.7082 116.6347 53.1585 35.2437 175.9118 16 Q 4.0745 8.5105 119.6283 56.5012 28.6016 176.3009 17 K 4.0691 9.1001 124.3871 57.0618 29.2835 175.6058 18 T 5.1478 7.5888 111.9975 62.6424 72.8325 174.1282 19 V 4.6615 8.7140 117.6934 59.8571 36.1609 175.0578 20 T 4.5488 8.5425 121.8520 63.2485 69.3947 173.8372 21 V 4.6152 8.7766 128.6074 61.2204 33.2383 174.6530 22 L 4.6624 9.0164 131.1291 54.6364 43.7690 175.6469 23 V 4.6937 8.5865 124.8100 61.5222 34.8433 173.6820 24 E 5.1686 8.9168 127.1526 55.0172 31.8907 175.2222 25 R 4.8539 9.0163 117.8544 55.0907 33.5335 173.5692 26 Q 5.2890 8.3238 117.8544 54.1563 32.9437 174.4935 27 F 4.7463 7.6437 113.4959 55.8100 41.4297 171.6122 28 P 4.7735 0.0000 0.0000 62.6247 32.2757 175.8526 29 H 4.3756 9.4872 124.9142 55.1840 30.1553 174.3909 30 P 4.3541 0.0000 0.0000 65.2315 30.9779 176.4783 31 L 4.5224 7.8962 116.1265 54.8523 44.3720 175.9545 32 Y 4.8453 8.0182 113.3351 57.1085 38.6226 175.8422 33 G 3.6752 7.1714 111.7731 44.4921 0.0000 174.0548 34 K 4.8602 7.4130 116.1904 50.8345 33.3028 175.6033 35 V 4.0414 8.4866 126.8276 63.2127 32.3313 174.9265 36 I 4.5864 8.3692 119.3836 58.9526 40.7909 174.6420 37 K 4.5929 8.4407 123.2896 56.2372 33.5154 176.0256 38 R 4.7832 8.4285 121.0060 55.6916 33.9952 173.6296 39 S 5.2787 8.6531 118.4630 56.8526 67.1111 171.6909 40 K 4.7328 8.8531 120.4994 54.6366 36.1915 174.2705 41 K 5.0962 8.2772 119.5773 54.6596 35.2785 175.7045 42 Y 4.6033 8.9860 121.6470 56.0600 41.3458 174.5770 43 L 4.9580 8.6214 122.9571 53.6903 43.2502 175.7733 44 A 5.0707 8.9125 125.9030 49.9948 21.4976 174.9170 45 H 4.3667 9.0328 123.2863 56.3872 31.3506 174.4388 46 D 5.2320 8.3772 124.0527 52.3748 40.9844 173.8134 47 P 4.4154 0.0000 0.0000 64.0740 32.0513 177.7489 48 E 4.4826 7.7367 116.3308 55.9802 29.9545 175.8763 49 E 4.6781 8.4825 117.1729 56.4563 27.6182 177.1458 50 K 4.0120 8.3365 121.6763 59.5755 33.5593 176.8144 51 Y 4.1916 8.2097 118.5121 56.9509 38.0980 175.2602 52 K 4.8422 8.5385 124.6865 54.5823 35.0328 175.1743 53 L 4.1289 8.1437 121.0499 56.4534 42.6289 176.7792 54 G 4.0072 9.0012 114.0091 44.9970 0.0000 172.2255 55 D 4.9549 7.5958 120.4272 53.5021 42.4511 175.8872 56 V 4.2537 8.3210 123.2471 62.6167 32.9584 174.9973 57 V 4.8035 8.9696 126.3728 61.6223 35.8412 172.9566 58 E 5.0453 8.7597 123.8771 55.2370 31.4971 175.5030 59 I 4.9228 9.0178 124.6147 59.5889 41.3086 174.3449 60 I 4.9957 8.6912 123.4880 59.0535 41.6623 173.5475 61 E 3.1181 9.1525 130.8531 56.9617 28.5014 176.0944 62 S 4.6946 7.6035 121.5377 55.8229 65.7714 173.9099 63 R 3.8784 8.2801 121.2256 55.3357 30.3540 174.0493 64 P 4.1614 0.0000 0.0000 63.6422 31.5845 175.7455 65 I 4.1522 8.3562 124.4898 62.7223 38.1731 175.6689 66 S 4.5136 7.5710 111.5584 56.5784 65.7682 173.2288 67 K 3.7985 8.5261 121.4682 57.3869 32.0663 176.3799 68 R 3.7756 8.7140 119.1651 56.7973 29.0959 176.3151 69 K 4.6094 8.0008 116.9727 55.3333 32.4786 175.5748 70 R 4.8270 8.5429 125.4737 55.1605 32.4522 174.4538 71 F 4.9675 8.3211 116.6121 56.1128 43.4693 174.0067 72 R 4.8691 8.5487 121.8242 54.6061 32.5910 176.0298 73 V 3.5382 7.7659 121.6817 62.6876 31.1209 175.4825 74 L 4.2462 9.0163 132.8348 56.3314 41.6604 176.6482 75 R 5.1868 7.2997 111.9384 55.8341 32.5888 173.0885 76 L 4.4887 8.8213 122.4721 55.6662 42.3441 176.2931 77 V 4.3702 8.2395 124.4032 63.8228 34.3075 175.5098 78 E 4.7576 7.6655 113.3767 55.3665 31.7745 176.2455 79 S 4.6062 8.5897 119.8963 57.6440 63.6856 173.7148 80 G 4.0371 8.7681 109.9943 46.2577 0.0000 173.9028 81 R 4.7358 8.3995 128.6258 54.7075 31.8123 177.3799 82 M 4.2225 8.2955 119.0447 57.8807 32.2512 177.5892 83 D 4.4423 8.0949 119.4882 56.4125 39.5021 178.4818 84 L 4.1406 7.8538 119.9306 57.3477 41.6322 179.2888 85 V 3.6614 7.8093 117.7818 66.2258 31.5916 177.5873 86 E 3.9646 8.6508 118.5888 59.4603 29.2714 179.7071 87 K 3.9757 7.6491 117.1740 60.2000 32.1524 177.9398 88 Y 4.1037 8.1042 119.3350 60.7347 38.4088 177.8243 89 L 3.6576 8.7106 119.5055 58.0965 41.9514 180.1698 90 I 3.5639 7.5692 118.9237 64.2704 36.9139 177.9953 91 R 3.6178 7.4432 118.1344 59.5919 30.0202 177.9312 92 R 3.2285 7.4167 117.9168 59.3051 30.2083 178.3075 93 Q 3.9368 7.9711 119.3874 59.0566 28.9204 177.8032 94 N 4.4816 8.1928 117.4849 55.6892 38.3616 176.8574 95 Y 4.4276 7.5358 118.9531 61.1726 37.7481 177.7647 96 E 3.9144 7.5944 118.4435 59.2759 29.7030 177.1976 97 S 4.7420 7.7121 111.4268 58.7660 63.4732 174.5175 98 L 4.8435 8.0830 119.7022 55.1040 44.2887 178.3099 99 S 4.6780 7.8293 120.0524 58.6545 62.9522 176.3062 100 K 4.4183 8.4344 113.1441 55.5016 31.8577 176.7502 *101 R 4.1415 7.6876 120.1423 56.4209 30.0213 177.1371 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 P 0.00 4.27 0.00 2.19 2.14 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 3 K 8.88 3.66 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.46 7.81 4 K 8.24 4.18 0.00 1.96 1.82 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.61 1.62 7.81 5 V 8.28 5.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.04 0.00 0.00 6 L 8.76 4.86 0.00 1.23 1.23 0.23 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.12 5.07 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 8 G 8.82 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.01 4.57 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.92 0.00 0.00 10 V 8.60 4.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.97 0.00 0.00 11 V 8.48 4.24 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.51 0.00 0.00 12 S 7.50 4.51 0.00 3.87 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.82 4.94 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.98 4.53 0.00 1.78 1.88 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.47 7.81 15 M 7.71 4.76 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 16 Q 8.51 4.07 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 17 K 9.10 4.07 0.00 1.96 1.91 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.44 7.81 18 T 7.59 5.15 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 19 V 8.71 4.66 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.86 0.00 0.00 20 T 8.54 4.55 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 21 V 8.78 4.62 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.83 0.00 0.00 22 L 9.02 4.66 0.00 1.48 1.37 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.59 4.69 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.01 0.00 0.00 24 E 8.92 5.17 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 25 R 9.02 4.85 0.00 1.91 2.03 0.00 2.78 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 26 Q 8.32 5.29 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 27 F 7.64 4.75 0.00 3.07 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.77 0.00 2.05 2.08 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 29 H 9.49 4.38 0.00 3.19 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.35 0.00 2.13 2.17 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 31 L 7.90 4.52 0.00 1.28 1.00 0.86 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.02 4.85 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.17 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.41 4.86 0.00 1.83 1.82 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.71 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.47 7.81 35 V 8.49 4.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 36 I 8.37 4.59 1.69 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.16 0.89 0.00 0.00 37 K 8.44 4.59 0.00 1.64 1.77 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.40 7.81 38 R 8.43 4.78 0.00 2.07 1.91 0.00 3.28 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 39 S 8.65 5.28 0.00 4.04 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.85 4.73 0.00 1.78 1.66 0.00 0.61 0.00 0.00 0.84 0.00 0.00 2.68 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.82 1.14 7.81 41 K 8.28 5.10 0.00 1.54 1.57 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.40 7.81 42 Y 8.99 4.60 0.00 2.60 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.62 4.96 0.00 1.74 1.64 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.91 5.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 H 9.03 4.37 0.00 3.32 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.38 5.23 0.00 2.80 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.42 0.00 2.27 2.31 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 48 E 7.74 4.48 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 49 E 8.48 4.68 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 50 K 8.34 4.01 0.00 1.55 1.82 0.00 1.27 0.00 0.00 1.62 0.00 0.00 3.18 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.16 7.81 51 Y 8.21 4.19 0.00 3.23 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.54 4.84 0.00 1.93 1.97 0.00 1.42 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.71 1.50 7.81 53 L 8.14 4.13 0.00 1.78 1.63 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.60 4.95 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.32 4.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.94 0.00 0.00 57 V 8.97 4.80 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.91 0.00 0.00 58 E 8.76 5.05 0.00 1.97 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 59 I 9.02 4.92 1.70 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.83 1.06 0.00 0.00 60 I 8.69 5.00 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.62 0.97 0.00 0.00 61 E 9.15 3.12 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.92 0.00 62 S 7.60 4.69 0.00 3.72 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.28 3.88 0.00 1.72 1.77 0.00 3.39 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 64 P 0.00 4.16 0.00 2.06 2.02 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 65 I 8.36 4.15 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.83 0.00 0.00 66 S 7.57 4.51 0.00 3.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.53 3.80 0.00 1.82 1.76 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.46 7.81 68 R 8.71 3.78 0.00 1.95 1.99 0.00 3.28 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 69 K 8.00 4.61 0.00 1.95 1.95 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.66 7.81 70 R 8.54 4.83 0.00 1.94 1.67 0.00 3.23 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 71 F 8.32 4.97 0.00 2.89 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.55 4.87 0.00 1.80 1.85 0.00 3.13 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 73 V 7.77 3.54 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 0.72 0.00 0.00 74 L 9.02 4.25 0.00 1.67 1.66 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.30 5.19 0.00 1.94 2.02 0.00 3.21 0.00 0.00 3.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 76 L 8.82 4.49 0.00 1.77 1.66 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.24 4.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 78 E 7.67 4.76 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 79 S 8.59 4.61 0.00 3.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.77 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.40 4.74 0.00 2.09 1.86 0.00 3.31 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 82 M 8.30 4.22 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 83 D 8.09 4.44 0.00 2.87 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.85 4.14 0.00 1.73 1.76 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.81 3.66 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.95 0.00 0.00 86 E 8.65 3.96 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 87 K 7.65 3.98 0.00 2.04 1.87 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.60 7.81 88 Y 8.10 4.10 0.00 3.06 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.71 3.66 0.00 1.83 1.69 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.57 3.56 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.92 0.88 0.00 0.00 91 R 7.44 3.62 0.00 1.83 1.83 0.00 3.27 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.55 0.00 92 R 7.42 3.23 0.00 1.46 1.51 0.00 2.99 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 93 Q 7.97 3.94 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 94 N 8.19 4.48 0.00 2.79 2.79 0.00 0.00 6.90 8.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.54 4.43 0.00 3.10 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.59 3.91 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 97 S 7.71 4.74 0.00 4.01 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.08 4.84 0.00 1.73 1.70 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.83 4.68 0.00 3.97 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.43 4.42 0.00 1.72 1.77 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.32 7.81 *101 R 7.69 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.